ChemSpider 2D Image | RR82 | C31H32N8O5

RR82

  • Molecular FormulaC31H32N8O5
  • Average mass596.636 Da
  • Monoisotopic mass596.249573 Da
  • ChemSpider ID24571151

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1085412-37-8 [RN]
2,6-Pyridinedicarboxamide, 4-(2-aminoethoxy)-N2,N6-bis[4-(2-aminoethoxy)-2-quinolinyl]- [ACD/Index Name]
4-(2-Aminoethoxy)-N,N'-bis[4-(2-aminoethoxy)-2-chinolinyl]-2,6-pyridindicarboxamid [German] [ACD/IUPAC Name]
4-(2-Aminoéthoxy)-N,N'-bis[4-(2-aminoéthoxy)-2-quinoléinyl]-2,6-pyridinedicarboxamide [French] [ACD/IUPAC Name]
4-(2-Aminoethoxy)-N,N'-bis[4-(2-aminoethoxy)-2-quinolinyl]-2,6-pyridinedicarboxamide [ACD/IUPAC Name]
4-(2-aminoethoxy)-N2,N6-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide
Pyridostatin
RR82
[1085412-37-8] [RN]
4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      DNA/RNA Synthesis inhibitor TargetMol T1899

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15176
      Cell Cycle/DNA Damage; MedChem Express HY-15176
      DNA Damage/DNA Repair TargetMol T1899
      G-quadruplex MedChem Express HY-15176
      G-quadruplexe TargetMol T1899
      Pyridostatin(RR-82) is a G-quadruplex-interacting drug which can promote growth arrest in human cancer cells by inducing replication- and transcription-dependent DNA damage. MedChem Express http://www.medchemexpress.com/d8-mmae.html, HY-15176
      Pyridostatin(RR-82) is a G-quadruplex-interacting drug which can promote growth arrest in human cancer cells by inducing replication- and transcription-dependent DNA damage. ;IC50 Value:;Target: G-quadruplex;In vitro: The increased mechanical stability of pyridostatin-bound G-quadruplex permits the determination of a dissociation constant K(d) of 490 ? 80 nM. The free-energy change of binding obtained from a Hess-like process provides an identical K(d) for pyridostatin and a K(d) of 42 ? 3 uM for a weaker ligand RR110 [1]. Pyridostatin reduced SRC protein abundance and SRC-dependent cellular motility in human breast cancer cells, validating SRC as a target of this drug [2].;In vivo: Clinical trial: N/A MedChem Express HY-15176

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 753.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.7±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.22
Polar Surface Area: 203 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 427.6±3.0 cm3

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